Machine learning and density functional theory-based analysis of the surface reactivity of high entropy alloys: The case of H atom adsorption on CoCuFeMnNi
Allan Abraham B. Padama, Marianne A. Palmero, Kōji Shimizu, Tongjai Chookajorn, Satoshi Watanabe
Topics & Concepts
Density functional theoryAdsorptionAtom (system on chip)ThermodynamicsSurface (topology)Entropy (arrow of time)Materials scienceStatistical physicsChemistryPhysical chemistryComputational chemistryPhysicsMathematicsComputer scienceGeometryEmbedded systemHigh Entropy Alloys StudiesAdditive Manufacturing Materials and ProcessesHigh-Temperature Coating Behaviors